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PREFIX atlas: <http://www.ebi.ac.uk/gxa/query?conditionQuery=> PREFIX b2rdrugb: <http://bio2rdf.org/drugbank:DB> PREFIX b2rhmdb: <http://bio2rdf.org/hmdb:> PREFIX b2rkegg: <http://bio2rdf.org/kegg:> PREFIX b2rpcc: <http://bio2rdf.org/pubchem.compound:> PREFIX b2rpcs: <http://bio2rdf.org/pubchem.substance:> PREFIX b2rpkb: <http://bio2rdf.org/pharmgkb:> PREFIX bibo: <http://purl.org/ontology/bibo/> PREFIX chebi: <http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI%3A> PREFIX chembl: <https://www.ebi.ac.uk/chembl/compound/inspect/CHEMBL> PREFIX cheminf: <http://semanticscience.org/resource/> PREFIX crossref: <http://example.org/test/crossref/> PREFIX dbpo: <http://dbpedia.org/ontology/> PREFIX dc: <http://purl.org/dc/elements/1.1/> PREFIX dcat: <http://www.w3.org/ns/dcat#> PREFIX dct: <http://purl.org/dc/terms/> PREFIX dcterms: <http://purl.org/dc/terms/> PREFIX drugb: <http://www.drugbank.ca/drugs/DB> PREFIX emol: <https://www.emolecules.com/cgi-bin/more?vid=> PREFIX fdasrs: <http://fdasis.nlm.nih.gov/srs/ProxyServlet?mergeData=true&objectHandle=DBMaint&APPLICATION_NAME=fdasrs&actionHandle=default&nextPage=jsp/srs/ResultScreen.jsp&TXTSUPERLISTID=> PREFIX foaf: <http://xmlns.com/foaf/0.1/> PREFIX glycan: <http://rdf.glycoinfo.org/glycan/> PREFIX gtopdb: <http://www.guidetopharmacology.org/GRAC/LigandDisplayForward?ligandId=> PREFIX hmdb: <http://www.hmdb.ca/metabolites/> PREFIX ibm: <http://www-935.ibm.com/services/us/gbs/bao/siip/nih/?sid=> PREFIX idchebi: <http://identifiers.org/chebi/CHEBI:> PREFIX idchembl: <http://identifiers.org/chembl.compound/CHEMBL> PREFIX iddrugb: <http://identifiers.org/drugbank/DB> PREFIX idhmdb: <http://identifiers.org/hmdb/> PREFIX idkeggc: <http://identifiers.org/kegg.compound/> PREFIX idpcc: <http://identifiers.org/pubchem.compound/> PREFIX idpcs: <http://identifiers.org/pubchem.substance/> PREFIX idpdb: <http://identifiers.org/pdb-ccd/> PREFIX idpkb: <http://identifiers.org/pharmgkb.drug/> PREFIX idzinc: <http://identifiers.org/zinc/> PREFIX inchi: <http://glyconavi.org/inchi/> PREFIX jglobal: <http://stirdf.jst.go.jp/id/> PREFIX jst: <http://vocab.jst.go.jp/terms/sti#> PREFIX jstd: <http://vocab.jst.go.jp/terms/vlist#> PREFIX jstpat: <http://vocab.jst.go.jp/terms/patent#> PREFIX keggbget: <http://www.genome.jp/dbget-bin/www_bget?> PREFIX ndl: <http://ndl.go.jp/dcndl/terms/> PREFIX nikkaji: <http://stirdf.jst.go.jp/cde/nikkaji/> PREFIX obo: <http://purl.obolibrary.org/obo/> PREFIX obochebi: <http://purl.obolibrary.org/obo/CHEBI_> PREFIX owl: <http://www.w3.org/2002/07/owl#> PREFIX pav: <http://purl.org/pav/> PREFIX pcc: <http://pubchem.ncbi.nlm.nih.gov/compound/> PREFIX pcdotf: <http://pubchem.ncbi.nlm.nih.gov/substance/> PREFIX pcs: <http://pubchem.ncbi.nlm.nih.gov/substance/> PREFIX pcscid: <http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=> PREFIX pcssid: <http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=> PREFIX pdbe: <http://www.ebi.ac.uk/pdbe-srv/pdbechem/chemicalCompound/show/> PREFIX pdbj: <http://pdbj.org/chemie/summary/> PREFIX pkb: <http://www.pharmgkb.org/drug/> PREFIX prism: <http://prismstandard.org/namespaces/basic/2.0/> PREFIX rchembl: <http://rdf.ebi.ac.uk/resource/chembl/molecule/CHEMBL> PREFIX rcsb: <http://ligand-expo.rcsb.org/pyapps/ldHandler.py?formid=cc-index-search&operation=ccid&target=> PREFIX rda: <http://rdvocab.info/ElementsGr2/> PREFIX rdf: <http://www.w3.org/1999/02/22-rdf-syntax-ns#> PREFIX rdfs: <http://www.w3.org/2000/01/rdf-schema#> PREFIX rpccid: <http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID> PREFIX rpcsid: <http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID> PREFIX rpdb: <http://rdf.wwpdb.org/cc/> PREFIX schema: <http://schema.org/> PREFIX schembl: <https://www.surechembl.org/chemical/> PREFIX semanticscience: <http://semanticscience.org/resource/> PREFIX sio: <http://semanticscience.org/resource/> PREFIX skos: <http://www.w3.org/2004/02/skos/core#> PREFIX ssc: <http://semanticscience.org/resource/> PREFIX tl: <http://purl.org/NET/c4dm/timeline.owl#> PREFIX vcard: <http://www.w3.org/2006/vcard/ns#> PREFIX void: <http://rdfs.org/ns/void#> PREFIX xl: <http://www.w3.org/2008/05/skos-xl#> PREFIX xsd: <http://www.w3.org/2001/XMLSchema#> PREFIX zinc: <http://zinc.docking.org/substance/> <CompoundShape> { a [ jst:Chemical ] ; dcterms:identifier xsd:string ; jst:nikkaji-ID-registry xsd:string ; jst:nikkaji-number xsd:string ; jst:material-type xsd:string ; skos:closeMatch IRI + ; skos:closeMatch IRI + ; rdfs:label xsd:string + ; jst:chem-formula rdfs:Literal + ; jst:chem-formula xsd:string + ; jst:molar-weight xsd:string ; jst:regulation-number xsd:string + ; jst:regulation-number xsd:string + ; jst:regulation-number xsd:string + ; jst:regulation-number xsd:string + ; jst:regulation-number xsd:string + ; jst:systematic-name xsd:string + ; jst:common-name xsd:string + ; jst:use-for xsd:string * ; jst:smiles xsd:string ; foaf:depiction IRI * ; owl:sameAs @<JGlobalNikkajiEntryShape> + ; jst:component-nikkaji-number @<NikkajiIDListShape> ? } <NikkajiIDListShape> { a [ rdf:List ] ; rdf:first @<NikkajiIDShape> ; rdf:rest @<NikkajiIDListShape> } <NikkajiIDShape> { a [ rdf:Datatype ] ; rdfs:label xsd:string + ; rdfs:seeAlso IRI + } <JGlobalNikkajiEntryShape> { a [ jst:Chemical ] ; dct:identifier xsd:string + ; sio:CHEMINF_000200 IRI + ; sio:CHEMINF_000200 IRI + ; sio:CHEMINF_000200 IRI + ; sio:CHEMINF_000200 IRI + ; sio:CHEMINF_000200 IRI + ; jst:InChI xsd:string ; jst:InChIKey xsd:string ; jst:chem-formula xsd:string + ; jst:molar-weight xsd:string ; rdfs:label xsd:string + ; skos:closeMatch xsd:string + ; skos:exactMatch xsd:string ? }

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